3-(Trifluoromethyl)benzenepropanal

C10H9F3OCAS 21172-41-8202.18 g/mol

Open in Covalent MOL file
OFFF
AldehydeAlkyl halide

Properties

Molecular formula
C10H9F3O
Molar mass
202.18 g/mol
Exact mass
202.0605 Da
logP
2.84Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
21172-41-8
SMILES
O=CCCc1cccc(C(F)(F)F)c1
InChIKey
APCCHYPQHODSBD-UHFFFAOYSA-N
InChI
InChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5-7H,2,4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Benzenepropanal, 3-(trifluoromethyl)-
  • Hydrocinnamaldehyde, m-(trifluoromethyl)-
  • 3-(3-Trifluoromethylphenyl)propionaldehyde
  • 3-[3-(Trifluoromethyl)phenyl]propanal

Work with 3-(Trifluoromethyl)benzenepropanal

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(3-Trifluoromethylphenyl)ethylamine52516-30-058 % similar 3,3'-Bis(trifluoromethyl)diphenylmethane86845-35-458 % similar 3-(Trifluoromethyl)benzenepropanol78573-45-255 % similar 3-(3-Trifluoromethylphenyl)propanoic acid585-50-254 % similar Hydrocinnamaldehyde104-53-053 % similar 3-(Trifluoromethyl)benzyl mercaptan25697-55-653 % similar 3-(Trifluoromethyl)benzylamine2740-83-253 % similar 3-(Trifluoromethyl)benzylic alcohol349-75-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3'-(Trifluoromethyl)propiophenone1533-03-5 2-(Trifluoromethyl)propiophenone16185-96-9 1-[3-(Trifluoromethyl)phenyl]-2-propanone21906-39-8 p-Trifluoromethylpropiophenone711-33-1

Elsewhere

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